Chemical Properties of Benzene, 3-chloro-1-methyl-4-(1,1-dimethylethyl)

InChI

InChI=1S/C11H15Cl/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7H,1-4H3

InChI Key

XQVQFDUMCCPINW-UHFFFAOYSA-N

Formula

C11H15Cl

SMILES

Cc1ccc(C(C)(C)C)c(Cl)c1

Molecular Weight¹

182.69

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	125.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-81.27	kJ/mol	Joback Calculated Property
ΔfusH°	14.29	kJ/mol	Joback Calculated Property
ΔvapH°	46.77	kJ/mol	Joback Calculated Property
log10WS	-3.95		Crippen Calculated Property
logPoct/wat	3.946		Crippen Calculated Property
McVol	154.330	ml/mol	McGowan Calculated Property
Pc	2522.65	kPa	Joback Calculated Property
Inp	[1260.00; 1260.00]
Inp	1260.00		NIST
Inp	1260.00		NIST
Tboil	521.92	K	Joback Calculated Property
Tc	745.33	K	Joback Calculated Property
Tfus	297.53	K	Joback Calculated Property
Vc	0.582	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[333.56; 413.27]	J/mol×K	[521.92; 745.33]
Cp,gas	333.56	J/mol×K	521.92	Joback Calculated Property
Cp,gas	349.22	J/mol×K	559.16	Joback Calculated Property
Cp,gas	363.85	J/mol×K	596.39	Joback Calculated Property
Cp,gas	377.52	J/mol×K	633.63	Joback Calculated Property
Cp,gas	390.27	J/mol×K	670.86	Joback Calculated Property
Cp,gas	402.17	J/mol×K	708.10	Joback Calculated Property
Cp,gas	413.27	J/mol×K	745.33	Joback Calculated Property
η	[0.0002012; 0.0023098]	Pa×s	[297.53; 521.92]
η	0.0023098	Pa×s	297.53	Joback Calculated Property
η	0.0012255	Pa×s	334.93	Joback Calculated Property
η	0.0007385	Pa×s	372.33	Joback Calculated Property
η	0.0004881	Pa×s	409.72	Joback Calculated Property
η	0.0003457	Pa×s	447.12	Joback Calculated Property
η	0.0002583	Pa×s	484.52	Joback Calculated Property
η	0.0002012	Pa×s	521.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 3-chloro-1-methyl-4-(1,1-dimethylethyl).

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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